SCHEMBL22040686

SCHEMBL22040686

CC(C)(C)CCc1ccc(C(=O)NO)cc1

nearest known ligand 0.61

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
HDAC1 Q13547 9/20 0.61
HDAC6 Q9UBN7 11/20 0.57
HDAC8 Q9BY41 7/20 0.57
HDAC3 O15379 3/20 0.57
HDAC2 Q92769 3/20 0.57
HDAC4 P56524 1/20 0.57
HDAC7 Q8WUI4 1/20 0.57
HDAC10 Q969S8 1/20 0.57
HDAC11 Q96DB2 1/20 0.57
HDAC9 Q9UKV0 1/20 0.57
HDAC5 Q9UQL6 1/20 0.57
NCOR2 Q9Y618 1/20 0.55

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compoundsimilaritytop predictedshared targets
SCHEMBL11207384 0.86 HDAC1 (0.57) HDAC1HDAC6HDAC8HDAC3HDAC2
SCHEMBL22486922 0.83 PLK1 (0.49) HDAC1HDAC6HDAC8HDAC3HDAC2
SCHEMBL14454655 0.81 HDAC6 (0.60) HDAC1HDAC6HDAC8HDAC3HDAC2
SCHEMBL9969427 0.79 KMT2A (0.57)
SCHEMBL19521968 0.79 THRB (0.41)
SCHEMBL6396317 0.79 ALDH1A1 (0.55)
SCHEMBL6918978 0.79 PLK1 (0.72) HDAC1HDAC6HDAC8HDAC3HDAC2
SCHEMBL19002551 0.79 CYP4A11 (0.62)
SCHEMBL18701020 0.78 MLYCD (0.42)
SCHEMBL6919330 0.76 PLK1 (0.74) HDAC1HDAC6HDAC8HDAC3HDAC2

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Claimed or disclosed in 1 patent. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20200165257-A1 INHIBITORS OF PHOSPHOINOSITIDE 3-KINASE AND HISTONE DEACETYLASE FOR TREATMENT OF CANCER THE UNITED STATES OF AMERICA, AS REPRESENTED BY THE SECRETARY, DEPARTMENT OF HEALTH AND HUMAN SERVICES 2020-05-28 US disclosed

Patent text — is the patent's own abstract consistent with the prediction?

For each of this compound's patents that has machine-readable text (1 of them — usually the abstract, not the full specification), we ask MedCPT which protein the text reads most about, and where the chemistry-predicted target lands among 4885 human targets. A high rank means the patent's own wording is consistent with the prediction — a weak, independent signal, not proof of activity.

PatentTitleText reads most aboutPredicted target · text-rank
US-20200165257-A1 INHIBITORS OF PHOSPHOINOSITIDE 3-KINASE AND HISTONE DEACETYLASE FOR TREATMENT OF CANCER HDAC1, HDAC3, HDAC4 HDAC1 1/4885HDAC6 10/4885HDAC8 6/4885

“Text reads most about” is the patent abstract's nearest protein in MedCPT space (background-debiased). Only ~1.4% of patents have machine-readable text, so most compounds won't have this panel.